3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile

C13H10FNS — CID 130252712

IUPAC3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile
SMILESCCc1ccc(-c2ccsc2C#N)cc1F
InChIInChI=1S/C13H10FNS/c1-2-9-3-4-10(7-12(9)14)11-5-6-16-13(11)8-15/h3-7H,2H2,1H3
InChIKeyFIVRTAXTKMVUDT-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.99
Rot. Bonds2

About 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile

3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile (PubChem CID 130252712) has the molecular formula C13H10FNS and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile
PubChem CID130252712
Molecular FormulaC13H10FNS
Molecular Weight231.30 g/mol
Exact Mass231.05
IUPAC Name3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile
SMILESCCc1ccc(-c2ccsc2C#N)cc1F
InChIInChI=1S/C13H10FNS/c1-2-9-3-4-10(7-12(9)14)11-5-6-16-13(11)8-15/h3-7H,2H2,1H3
InChIKeyFIVRTAXTKMVUDT-UHFFFAOYSA-N
XLogP3.99
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile?
The IUPAC name of 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile (CID 130252712) is 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile?
The canonical SMILES for 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile is CCc1ccc(-c2ccsc2C#N)cc1F.
What is the InChIKey of 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile?
The InChIKey is FIVRTAXTKMVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNS/c1-2-9-3-4-10(7-12(9)14)11-5-6-16-13(11)8-15/h3-7H,2H2,1H3.
What are the key properties of 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile?
3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-fluorophenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 130252712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).